SCHEMBL28115716

SCHEMBL28115716

COc1ccc(Oc2ccccn2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.48
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
CHRNA7 P36544 1/20 0.44
CD274 Q9NZQ7 1/20 0.43
SYK P43405 5/20 0.43
RAF1 P04049 1/20 0.42
KDM4E B2RXH2 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28115709 0.81 HTR1A (0.49) TRPA1L3MBTL1CD274RAF1KDM4E
SCHEMBL5764883 0.81 TRPA1 (0.54) TRPA1L3MBTL1KDM4E
SCHEMBL2427966 0.78 POLB (0.46) TRPA1L3MBTL1CD274RAF1KDM4E
SCHEMBL30108336 0.78 MEN1 (0.54) TRPA1RAB9AL3MBTL1CD274SYK
SCHEMBL24741603 0.78 MEN1 (0.54) TRPA1RAB9AL3MBTL1CD274SYK
SCHEMBL23647531 0.77 LTA4H (0.55) TRPA1L3MBTL1KDM4E
SCHEMBL28115267 0.77 KDM4E (0.43) TRPA1L3MBTL1CD274RAF1KDM4E
SCHEMBL18984674 0.77 MEN1 (0.59) CD274KDM4E
SCHEMBL18984681 0.77 RAB9A (0.54) RAB9AL3MBTL1
SCHEMBL15096514 0.77 GRM4 (0.46) TRPA1L3MBTL1RAF1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104844399-B A kind of method synthesizing 2-fluorophenol compound 浙江工业大学 2016-12-07 CN disclosed